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A central challenge for scientific agents is to turn analytical experience into reusable expertise grounded in physical evidence. Here we introduce Gan Jiang, a self-learning agent for powder X-ray diffraction built on a diffraction-analysis ecosystem we developed: XMatcher, XQueryer, XDecomposer and WPEM. Together, th...
This work introduces MechaVLM, a visual framework that combines transferable chemical representations with external mechanistic knowledge that establishes strong zero-shot mechanism prediction and generalizes beyond mechanism prediction to atom mapping and reaction center prediction.
ViCoR, a repair-before-rejection framework for iterative VerIfiCatiOn and Revision, is proposed, a repair-before-rejection framework for iterative VerIfiCatiOn and Revision that automatically produces reliable structured outputs while rejecting unresolved cases.
Nuclear Magnetic Resonance spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise, so NMRAgent establishes a new paradigm for interpretable AI in analytical chemistry.
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